Information card for entry 7710001

Structure parameters

• Common name: CsIn4S6Cl
• Formula: Cl2 Cs2 In8 S12
• Calculated formula: Cl2 Cs2 In8 S12
• Title of publication: AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses
• Authors of publication: Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.5885 ± 0.0004 Å
• b: 6.6368 ± 0.0003 Å
• c: 25.0119 ± 0.0011 Å
• α: 90°
• β: 94.616 ± 0.004°
• γ: 90°
• Cell volume: 1255.6 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No